IBS-ZINC02444244 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.0960 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -0.5420 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 -1.9180 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -2.6600 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -2.0280 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -2.7610 -0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -4.1830 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9690 -2.6720 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 -1.7530 0.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0660 -0.4480 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 0.3240 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2890 -2.1680 1.3260 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.4130 -1.3740 0.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3200 -3.5880 1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7920 -1.6400 2.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0520 -0.4450 3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5610 -0.2560 4.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 -1.2980 5.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8850 -2.6120 4.0830 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 1.1750 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 -3.7390 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -4.4860 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -4.6450 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -4.5030 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 -3.1160 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 -3.4600 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 -0.5950 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9710 0.1050 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0050 0.6580 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 1.1940 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6040 0.3180 2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7010 0.6660 5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4510 -1.3310 6.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 M END